A1DMZ
Summary
| Name: | 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-phenylpiperidine |
| Formula: | C16 H21 N3 |
| Formal charge: | 0 |
| Formula weight: | 255.358 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-phenylpiperidine |
| OpenEye OEToolkits | 3.1.0.0 | 1-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-4-phenyl-piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1n[NH]c(C)c1N1CCC(CC1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C16H21N3/c1-12-16(13(2)18-17-12)19-10-8-15(9-11-19)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.06 | RGCFUMMICSDFTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc(C)c1N2CCC(CC2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc(C)c1N2CCC(CC2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(n[nH]1)C)N2CCC(CC2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(n[nH]1)C)N2CCC(CC2)c3ccccc3 |
